[(E)-[azanyl(pyridin-2-yl)methylidene]amino] 4-nitrobenzenesulfonate

Systemtic Name: [(E)-[azanyl(pyridin-2-yl)methylidene]amino] 4-nitrobenzenesulfonate Openeye Name: [(E)-[amino(2-pyridyl)methylene]amino] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [(E)-[amino(2-pyridinyl)methylidene]amino] ester IUPAC Name: [(E)-[amino(pyridin-2-yl)methylidene]amino] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [(E)-[amino(2-pyridyl)methylene]amino] ester Formula: C12H10N4O5S MolecularWeight: 322.2966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C(=NOS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=NC(=C1)/C(=N\OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])/N

InChI

InChI=1S/C12H10N4O5S/c13-12(11-3-1-2-8-14-11)15-21-22(19,20)10-6-4-9(5-7-10)16(17)18/h1-8H,(H2,13,15)